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Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-113788
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Ba', 'Zr', 'In', 'O']
  • Chemical System: Ba-In-O-Zr
  • Density: 6.215252994493797
  • Atomic Density: 0.06490310675983915
  • Unit Cell Volume: 154.07582932821663
  • Molar Volume: 9.278663319282568
  • Full Formula: Ba2 Zr1 In1 O6
  • Reduced Formula: Ba2ZrInO6
  • Formula Anonymous: ABC2D6
  • Spacegroup Number: 225
  • Spacegroup Symbol: Fm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m